Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23343726 | 0.84 | ACHE (0.48) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL6897457 | 0.84 | ACHE (0.48) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL8367527 | 0.84 | ACHE (0.48) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL2534644 | 0.84 | ACHE (0.48) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL22932513 | 0.82 | ACHE (0.50) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL18535826 | 0.81 | KIF11 (0.48) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL3973199 | 0.81 | KIF11 (0.50) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL5324674 | 0.81 | KIF11 (0.50) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL4874637 | 0.81 | KIF11 (0.50) | ACHECES2CES1ENPP2CA1 | |
| SCHEMBL14919359 | 0.80 | ACHE (0.48) | ACHECES2CES1ENPP2CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2438048-A2 | POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS | Amira Pharmaceuticals, Inc. (US) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010141761-A2 | POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2010-12-09 | — | — | WO | disclosed |